2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide

C14H18FNO2 — CID 136520781

IUPAC2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide
SMILESCc1cccc(C(=O)NC2CCCOCC2)c1F
InChIInChI=1S/C14H18FNO2/c1-10-4-2-6-12(13(10)15)14(17)16-11-5-3-8-18-9-7-11/h2,4,6,11H,3,5,7-9H2,1H3,(H,16,17)
InChIKeyGOCUTTDGXLVLGJ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.43
Rot. Bonds2

About 2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide

2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide (PubChem CID 136520781) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide
PubChem CID136520781
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide
SMILESCc1cccc(C(=O)NC2CCCOCC2)c1F
InChIInChI=1S/C14H18FNO2/c1-10-4-2-6-12(13(10)15)14(17)16-11-5-3-8-18-9-7-11/h2,4,6,11H,3,5,7-9H2,1H3,(H,16,17)
InChIKeyGOCUTTDGXLVLGJ-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
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CID 81459818
2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide
CID 169452441
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862
N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide
CID 81481989
3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 62660307
N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81477193
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
N-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide
CID 80712236
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide (CID 136520781) is 2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide is Cc1cccc(C(=O)NC2CCCOCC2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide?
The InChIKey is GOCUTTDGXLVLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10-4-2-6-12(13(10)15)14(17)16-11-5-3-8-18-9-7-11/h2,4,6,11H,3,5,7-9H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide?
2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide has a molecular weight of 251.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide is sourced from PubChem (CID 136520781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).